General Information of the Compound
| Compound ID |
CP0515311
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| Compound Name |
5-[4-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyrimidine
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| Structure |
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| Formula |
C23H30N4O
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| Molecular Weight |
378.52
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| Canonical SMILES |
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cncnc1
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| InChI |
InChI=1S/C23H30N4O/c1-3-28-20-6-4-5-18(13-20)23(21-11-17(2)12-22(21)23)27-9-7-26(8-10-27)19-14-24-16-25-15-19/h4-6,13-17,21-22H,3,7-12H2,1-2H3
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| InChIKey |
HJRJOUYNLRGGMJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound